CID 211892

23723-25-3

Structural Information

Molecular Formula
C17H26FNO2
SMILES
CCCCCCCCCCCOC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C17H26FNO2/c1-2-3-4-5-6-7-8-9-10-11-21-17(20)15-12-16(18)14-19-13-15/h12-14H,2-11H2,1H3
InChIKey
SXCKORZXIUEPIB-UHFFFAOYSA-N
Compound name
undecyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.19476 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20204 173.2
[M+Na]+ 318.18398 178.2
[M-H]- 294.18748 172.7
[M+NH4]+ 313.22858 187.3
[M+K]+ 334.15792 174.6
[M+H-H2O]+ 278.19202 164.0
[M+HCOO]- 340.19296 192.4
[M+CH3COO]- 354.20861 205.1
[M+Na-2H]- 316.16943 174.5
[M]+ 295.19421 177.2
[M]- 295.19531 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.